4-(4-피리딜메틸)아닐린

4-[(Pyridin-4-yl)methyl]aniline

HCID 307158CAS 27692-74-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1ccc(Cc2ccncc2)cc1
InChIKey: WZXYYQHVDJMIFF-UHFFFAOYSA-N
분자식: C12H12N2
평균 분자량: 184.24 g/mol
단동위원소 질량: 184.10004838

이름 및 식별자

우선 이름: 4-[(Pyridin-4-yl)methyl]aniline
IUPAC: 4-(pyridin-4-ylmethyl)aniline
현지명: 4-(4-피리딜메틸)아닐린
영어명: 4-(4-PYRIDYLMETHYL)ANILINE
분자식: C12H12N2
분자량: 184.24

이름 및 동의어

4-[(pyridin-4-yl)methyl]aniline4-((pyridin-4-yl)methyl)anilineRefChem:509915887-667-94-(pyridin-4-ylmethyl)aniline27692-74-64-(4-pyridylmethyl)aniline4-Pyridin-4-ylmethyl-phenylamineBenzenamine, 4-(4-pyridinylmethyl)-MFCD000530604-(4-aminobenzyl)pyridine4-(4-pyridinylmethyl)phenylamine

이름 더 보기

4-(4-피리딜메틸)아닐린AKOS B022151AKOS MSC-0758ASISCHEM C15388BUTTPARK 96\57-84IFLAB-BB F0902-4430ART-CHEM-BB B022151TIMTEC-BB SBB007147LABOTEST-BB LT00073086

4-(4-Pyridinylmethyl)-phenylamine4-(4-pyridylmethyl)aniline, AldrichCPRBP-10866SR-010004301694-(4-pyridylmethyl)phenylamineF0902-44304-(4-pyridinylmethyl)aniline[4-(pyridin-4-ylmethyl)phenyl]amine

데이터베이스 식별자

CAS: 27692-74-6
PubChem CID: 307158
DTXSID: DTXSID90308562
EC Number: 887-667-9

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 38.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 156

물리화학적 성질

녹는점: 152 · 152-153 °C
끓는 점: 354 · 354.0±22.0 °C(Predicted)
밀도: 1.121 · 1.121±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 결정성 분말
산도 계수 (pKa): 5.93 · 5.93±0.10(Predicted)
색상: 연노랑
InChI: 1S/C12H12N2/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-8H,9,13H2
InChIKey: WZXYYQHVDJMIFF-UHFFFAOYSA-N
SMILES: Nc1ccc(Cc2ccncc2)cc1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.